Dynamical matrix file 2 2 2 10.5000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1 'Al ' 24590.765652728711 2 'As ' 68285.402620549852 1 1 0.0000000000 0.0000000000 0.0000000000 2 2 0.2500000000 0.2500000000 0.2500000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 -0.250000000 0.750000000 ) 1 1 0.20172260 -0.00000000 -0.01029522 -0.01350183 0.00836169 -0.00000000 -0.01029522 0.01350183 0.27611463 -0.00000000 -0.01029522 0.01350183 0.00836169 -0.00000000 -0.01029522 -0.01350183 0.20172260 -0.00000000 1 2 -0.05021969 0.04953926 -0.03454641 0.04728112 -0.03788151 -0.12273859 -0.03887175 0.03771120 -0.06095598 0.06131544 -0.03887175 0.03771120 -0.03788151 -0.12273859 -0.03454641 0.04728112 -0.05021969 0.04953926 2 1 -0.05021969 -0.04953926 -0.03887175 -0.03771120 -0.03788151 0.12273859 -0.03454641 -0.04728112 -0.06095598 -0.06131544 -0.03454641 -0.04728112 -0.03788151 0.12273859 -0.03887175 -0.03771120 -0.05021969 -0.04953926 2 2 0.22673147 0.00000000 -0.00967224 -0.01147922 0.01556239 0.00000000 -0.00967224 0.01147922 0.25737172 0.00000000 -0.00967224 0.01147922 0.01556239 0.00000000 -0.00967224 -0.01147922 0.22673147 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 0.250000000 -0.750000000 ) 1 1 0.20172260 0.00000000 -0.01029522 0.01350183 0.00836169 0.00000000 -0.01029522 -0.01350183 0.27611463 0.00000000 -0.01029522 -0.01350183 0.00836169 0.00000000 -0.01029522 0.01350183 0.20172260 0.00000000 1 2 -0.05021969 -0.04953926 -0.03454641 -0.04728112 -0.03788151 0.12273859 -0.03887175 -0.03771120 -0.06095598 -0.06131544 -0.03887175 -0.03771120 -0.03788151 0.12273859 -0.03454641 -0.04728112 -0.05021969 -0.04953926 2 1 -0.05021969 0.04953926 -0.03887175 0.03771120 -0.03788151 -0.12273859 -0.03454641 0.04728112 -0.06095598 0.06131544 -0.03454641 0.04728112 -0.03788151 -0.12273859 -0.03887175 0.03771120 -0.05021969 0.04953926 2 2 0.22673147 -0.00000000 -0.00967224 0.01147922 0.01556239 -0.00000000 -0.00967224 -0.01147922 0.25737172 -0.00000000 -0.00967224 -0.01147922 0.01556239 -0.00000000 -0.00967224 0.01147922 0.22673147 -0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 -0.250000000 -0.750000000 ) 1 1 0.20172260 0.00000000 0.01029522 0.01350183 0.00836169 0.00000000 0.01029522 -0.01350183 0.27611463 0.00000000 0.01029522 -0.01350183 0.00836169 0.00000000 0.01029522 0.01350183 0.20172260 0.00000000 1 2 0.04953926 0.05021969 -0.04728112 -0.03454641 -0.12273859 0.03788151 -0.03771120 -0.03887175 0.06131544 0.06095598 -0.03771120 -0.03887175 -0.12273859 0.03788151 -0.04728112 -0.03454641 0.04953926 0.05021969 2 1 0.04953926 -0.05021969 -0.03771120 0.03887175 -0.12273859 -0.03788151 -0.04728112 0.03454641 0.06131544 -0.06095598 -0.04728112 0.03454641 -0.12273859 -0.03788151 -0.03771120 0.03887175 0.04953926 -0.05021969 2 2 0.22673147 -0.00000000 0.00967224 0.01147922 0.01556239 -0.00000000 0.00967224 -0.01147922 0.25737172 -0.00000000 0.00967224 -0.01147922 0.01556239 -0.00000000 0.00967224 0.01147922 0.22673147 -0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 0.250000000 0.750000000 ) 1 1 0.20172260 -0.00000000 0.01029522 -0.01350183 0.00836169 -0.00000000 0.01029522 0.01350183 0.27611463 -0.00000000 0.01029522 0.01350183 0.00836169 -0.00000000 0.01029522 -0.01350183 0.20172260 -0.00000000 1 2 0.04953926 -0.05021969 -0.04728112 0.03454641 -0.12273859 -0.03788151 -0.03771120 0.03887175 0.06131544 -0.06095598 -0.03771120 0.03887175 -0.12273859 -0.03788151 -0.04728112 0.03454641 0.04953926 -0.05021969 2 1 0.04953926 0.05021969 -0.03771120 -0.03887175 -0.12273859 0.03788151 -0.04728112 -0.03454641 0.06131544 0.06095598 -0.04728112 -0.03454641 -0.12273859 0.03788151 -0.03771120 -0.03887175 0.04953926 0.05021969 2 2 0.22673147 0.00000000 0.00967224 -0.01147922 0.01556239 0.00000000 0.00967224 0.01147922 0.25737172 0.00000000 0.00967224 0.01147922 0.01556239 0.00000000 0.00967224 -0.01147922 0.22673147 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 -0.750000000 0.250000000 ) 1 1 0.20172260 -0.00000000 -0.00836169 0.00000000 0.01029522 0.01350183 -0.00836169 0.00000000 0.20172260 -0.00000000 -0.01029522 -0.01350183 0.01029522 -0.01350183 -0.01029522 0.01350183 0.27611463 -0.00000000 1 2 -0.04953926 -0.05021969 -0.12273859 0.03788151 0.04728112 0.03454641 -0.12273859 0.03788151 -0.04953926 -0.05021969 -0.04728112 -0.03454641 0.03771120 0.03887175 -0.03771120 -0.03887175 -0.06131544 -0.06095598 2 1 -0.04953926 0.05021969 -0.12273859 -0.03788151 0.03771120 -0.03887175 -0.12273859 -0.03788151 -0.04953926 0.05021969 -0.03771120 0.03887175 0.04728112 -0.03454641 -0.04728112 0.03454641 -0.06131544 0.06095598 2 2 0.22673147 0.00000000 -0.01556239 -0.00000000 0.00967224 0.01147922 -0.01556239 -0.00000000 0.22673147 0.00000000 -0.00967224 -0.01147922 0.00967224 -0.01147922 -0.00967224 0.01147922 0.25737172 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 0.750000000 -0.250000000 ) 1 1 0.20172260 0.00000000 -0.00836169 -0.00000000 0.01029522 -0.01350183 -0.00836169 -0.00000000 0.20172260 0.00000000 -0.01029522 0.01350183 0.01029522 0.01350183 -0.01029522 -0.01350183 0.27611463 0.00000000 1 2 -0.04953926 0.05021969 -0.12273859 -0.03788151 0.04728112 -0.03454641 -0.12273859 -0.03788151 -0.04953926 0.05021969 -0.04728112 0.03454641 0.03771120 -0.03887175 -0.03771120 0.03887175 -0.06131544 0.06095598 2 1 -0.04953926 -0.05021969 -0.12273859 0.03788151 0.03771120 0.03887175 -0.12273859 0.03788151 -0.04953926 -0.05021969 -0.03771120 -0.03887175 0.04728112 0.03454641 -0.04728112 -0.03454641 -0.06131544 -0.06095598 2 2 0.22673147 -0.00000000 -0.01556239 0.00000000 0.00967224 -0.01147922 -0.01556239 0.00000000 0.22673147 -0.00000000 -0.00967224 0.01147922 0.00967224 0.01147922 -0.00967224 -0.01147922 0.25737172 -0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 0.250000000 0.750000000 ) 1 1 0.20172260 0.00000000 -0.01029522 -0.01350183 -0.00836169 0.00000000 -0.01029522 0.01350183 0.27611463 -0.00000000 0.01029522 -0.01350183 -0.00836169 0.00000000 0.01029522 0.01350183 0.20172260 0.00000000 1 2 -0.04953926 -0.05021969 -0.04728112 -0.03454641 -0.12273859 0.03788151 -0.03771120 -0.03887175 -0.06131544 -0.06095598 0.03771120 0.03887175 -0.12273859 0.03788151 0.04728112 0.03454641 -0.04953926 -0.05021969 2 1 -0.04953926 0.05021969 -0.03771120 0.03887175 -0.12273859 -0.03788151 -0.04728112 0.03454641 -0.06131544 0.06095598 0.04728112 -0.03454641 -0.12273859 -0.03788151 0.03771120 -0.03887175 -0.04953926 0.05021969 2 2 0.22673147 0.00000000 -0.00967224 -0.01147922 -0.01556239 0.00000000 -0.00967224 0.01147922 0.25737172 0.00000000 0.00967224 -0.01147922 -0.01556239 0.00000000 0.00967224 0.01147922 0.22673147 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 -0.250000000 -0.750000000 ) 1 1 0.20172260 -0.00000000 -0.01029522 0.01350183 -0.00836169 -0.00000000 -0.01029522 -0.01350183 0.27611463 0.00000000 0.01029522 0.01350183 -0.00836169 -0.00000000 0.01029522 -0.01350183 0.20172260 -0.00000000 1 2 -0.04953926 0.05021969 -0.04728112 0.03454641 -0.12273859 -0.03788151 -0.03771120 0.03887175 -0.06131544 0.06095598 0.03771120 -0.03887175 -0.12273859 -0.03788151 0.04728112 -0.03454641 -0.04953926 0.05021969 2 1 -0.04953926 -0.05021969 -0.03771120 -0.03887175 -0.12273859 0.03788151 -0.04728112 -0.03454641 -0.06131544 -0.06095598 0.04728112 0.03454641 -0.12273859 0.03788151 0.03771120 0.03887175 -0.04953926 -0.05021969 2 2 0.22673147 -0.00000000 -0.00967224 0.01147922 -0.01556239 -0.00000000 -0.00967224 -0.01147922 0.25737172 -0.00000000 0.00967224 0.01147922 -0.01556239 -0.00000000 0.00967224 -0.01147922 0.22673147 -0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 0.250000000 -0.750000000 ) 1 1 0.20172260 0.00000000 0.01029522 0.01350183 -0.00836169 0.00000000 0.01029522 -0.01350183 0.27611463 0.00000000 -0.01029522 0.01350183 -0.00836169 0.00000000 -0.01029522 -0.01350183 0.20172260 0.00000000 1 2 -0.04953926 -0.05021969 0.04728112 0.03454641 -0.12273859 0.03788151 0.03771120 0.03887175 -0.06131544 -0.06095598 -0.03771120 -0.03887175 -0.12273859 0.03788151 -0.04728112 -0.03454641 -0.04953926 -0.05021969 2 1 -0.04953926 0.05021969 0.03771120 -0.03887175 -0.12273859 -0.03788151 0.04728112 -0.03454641 -0.06131544 0.06095598 -0.04728112 0.03454641 -0.12273859 -0.03788151 -0.03771120 0.03887175 -0.04953926 0.05021969 2 2 0.22673147 0.00000000 0.00967224 0.01147922 -0.01556239 0.00000000 0.00967224 -0.01147922 0.25737172 -0.00000000 -0.00967224 0.01147922 -0.01556239 0.00000000 -0.00967224 -0.01147922 0.22673147 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 -0.250000000 0.750000000 ) 1 1 0.20172260 -0.00000000 0.01029522 -0.01350183 -0.00836169 -0.00000000 0.01029522 0.01350183 0.27611463 -0.00000000 -0.01029522 -0.01350183 -0.00836169 -0.00000000 -0.01029522 0.01350183 0.20172260 -0.00000000 1 2 -0.04953926 0.05021969 0.04728112 -0.03454641 -0.12273859 -0.03788151 0.03771120 -0.03887175 -0.06131544 0.06095598 -0.03771120 0.03887175 -0.12273859 -0.03788151 -0.04728112 0.03454641 -0.04953926 0.05021969 2 1 -0.04953926 -0.05021969 0.03771120 0.03887175 -0.12273859 0.03788151 0.04728112 0.03454641 -0.06131544 -0.06095598 -0.04728112 -0.03454641 -0.12273859 0.03788151 -0.03771120 -0.03887175 -0.04953926 -0.05021969 2 2 0.22673147 -0.00000000 0.00967224 -0.01147922 -0.01556239 -0.00000000 0.00967224 0.01147922 0.25737172 0.00000000 -0.00967224 -0.01147922 -0.01556239 -0.00000000 -0.00967224 0.01147922 0.22673147 -0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 0.750000000 -0.250000000 ) 1 1 0.20172260 0.00000000 0.00836169 0.00000000 -0.01029522 -0.01350183 0.00836169 0.00000000 0.20172260 0.00000000 -0.01029522 -0.01350183 -0.01029522 0.01350183 -0.01029522 0.01350183 0.27611463 0.00000000 1 2 -0.05021969 0.04953926 -0.03788151 -0.12273859 -0.03454641 0.04728112 -0.03788151 -0.12273859 -0.05021969 0.04953926 -0.03454641 0.04728112 -0.03887175 0.03771120 -0.03887175 0.03771120 -0.06095598 0.06131544 2 1 -0.05021969 -0.04953926 -0.03788151 0.12273859 -0.03887175 -0.03771120 -0.03788151 0.12273859 -0.05021969 -0.04953926 -0.03887175 -0.03771120 -0.03454641 -0.04728112 -0.03454641 -0.04728112 -0.06095598 -0.06131544 2 2 0.22673147 -0.00000000 0.01556239 -0.00000000 -0.00967224 -0.01147922 0.01556239 -0.00000000 0.22673147 -0.00000000 -0.00967224 -0.01147922 -0.00967224 0.01147922 -0.00967224 0.01147922 0.25737172 -0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 -0.750000000 0.250000000 ) 1 1 0.20172260 -0.00000000 0.00836169 -0.00000000 -0.01029522 0.01350183 0.00836169 -0.00000000 0.20172260 -0.00000000 -0.01029522 0.01350183 -0.01029522 -0.01350183 -0.01029522 -0.01350183 0.27611463 -0.00000000 1 2 -0.05021969 -0.04953926 -0.03788151 0.12273859 -0.03454641 -0.04728112 -0.03788151 0.12273859 -0.05021969 -0.04953926 -0.03454641 -0.04728112 -0.03887175 -0.03771120 -0.03887175 -0.03771120 -0.06095598 -0.06131544 2 1 -0.05021969 0.04953926 -0.03788151 -0.12273859 -0.03887175 0.03771120 -0.03788151 -0.12273859 -0.05021969 0.04953926 -0.03887175 0.03771120 -0.03454641 0.04728112 -0.03454641 0.04728112 -0.06095598 0.06131544 2 2 0.22673147 0.00000000 0.01556239 0.00000000 -0.00967224 0.01147922 0.01556239 0.00000000 0.22673147 0.00000000 -0.00967224 0.01147922 -0.00967224 -0.01147922 -0.00967224 -0.01147922 0.25737172 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 -0.750000000 -0.250000000 ) 1 1 0.20172260 -0.00000000 0.00836169 -0.00000000 0.01029522 0.01350183 0.00836169 -0.00000000 0.20172260 -0.00000000 0.01029522 0.01350183 0.01029522 -0.01350183 0.01029522 -0.01350183 0.27611463 -0.00000000 1 2 0.04953926 0.05021969 -0.12273859 0.03788151 -0.04728112 -0.03454641 -0.12273859 0.03788151 0.04953926 0.05021969 -0.04728112 -0.03454641 -0.03771120 -0.03887175 -0.03771120 -0.03887175 0.06131544 0.06095598 2 1 0.04953926 -0.05021969 -0.12273859 -0.03788151 -0.03771120 0.03887175 -0.12273859 -0.03788151 0.04953926 -0.05021969 -0.03771120 0.03887175 -0.04728112 0.03454641 -0.04728112 0.03454641 0.06131544 -0.06095598 2 2 0.22673147 0.00000000 0.01556239 0.00000000 0.00967224 0.01147922 0.01556239 0.00000000 0.22673147 0.00000000 0.00967224 0.01147922 0.00967224 -0.01147922 0.00967224 -0.01147922 0.25737172 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 0.750000000 0.250000000 ) 1 1 0.20172260 0.00000000 0.00836169 0.00000000 0.01029522 -0.01350183 0.00836169 0.00000000 0.20172260 0.00000000 0.01029522 -0.01350183 0.01029522 0.01350183 0.01029522 0.01350183 0.27611463 0.00000000 1 2 0.04953926 -0.05021969 -0.12273859 -0.03788151 -0.04728112 0.03454641 -0.12273859 -0.03788151 0.04953926 -0.05021969 -0.04728112 0.03454641 -0.03771120 0.03887175 -0.03771120 0.03887175 0.06131544 -0.06095598 2 1 0.04953926 0.05021969 -0.12273859 0.03788151 -0.03771120 -0.03887175 -0.12273859 0.03788151 0.04953926 0.05021969 -0.03771120 -0.03887175 -0.04728112 -0.03454641 -0.04728112 -0.03454641 0.06131544 0.06095598 2 2 0.22673147 -0.00000000 0.01556239 -0.00000000 0.00967224 -0.01147922 0.01556239 -0.00000000 0.22673147 -0.00000000 0.00967224 -0.01147922 0.00967224 0.01147922 0.00967224 0.01147922 0.25737172 -0.00000000 Dynamical Matrix in cartesian axes q = ( -0.750000000 0.750000000 0.250000000 ) 1 1 0.20172260 -0.00000000 -0.00836169 0.00000000 -0.01029522 -0.01350183 -0.00836169 0.00000000 0.20172260 -0.00000000 0.01029522 0.01350183 -0.01029522 0.01350183 0.01029522 -0.01350183 0.27611463 -0.00000000 1 2 -0.04953926 -0.05021969 -0.12273859 0.03788151 -0.04728112 -0.03454641 -0.12273859 0.03788151 -0.04953926 -0.05021969 0.04728112 0.03454641 -0.03771120 -0.03887175 0.03771120 0.03887175 -0.06131544 -0.06095598 2 1 -0.04953926 0.05021969 -0.12273859 -0.03788151 -0.03771120 0.03887175 -0.12273859 -0.03788151 -0.04953926 0.05021969 0.03771120 -0.03887175 -0.04728112 0.03454641 0.04728112 -0.03454641 -0.06131544 0.06095598 2 2 0.22673147 0.00000000 -0.01556239 -0.00000000 -0.00967224 -0.01147922 -0.01556239 -0.00000000 0.22673147 0.00000000 0.00967224 0.01147922 -0.00967224 0.01147922 0.00967224 -0.01147922 0.25737172 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.750000000 -0.750000000 -0.250000000 ) 1 1 0.20172260 0.00000000 -0.00836169 -0.00000000 -0.01029522 0.01350183 -0.00836169 -0.00000000 0.20172260 0.00000000 0.01029522 -0.01350183 -0.01029522 -0.01350183 0.01029522 0.01350183 0.27611463 0.00000000 1 2 -0.04953926 0.05021969 -0.12273859 -0.03788151 -0.04728112 0.03454641 -0.12273859 -0.03788151 -0.04953926 0.05021969 0.04728112 -0.03454641 -0.03771120 0.03887175 0.03771120 -0.03887175 -0.06131544 0.06095598 2 1 -0.04953926 -0.05021969 -0.12273859 0.03788151 -0.03771120 -0.03887175 -0.12273859 0.03788151 -0.04953926 -0.05021969 0.03771120 0.03887175 -0.04728112 -0.03454641 0.04728112 0.03454641 -0.06131544 -0.06095598 2 2 0.22673147 -0.00000000 -0.01556239 0.00000000 -0.00967224 0.01147922 -0.01556239 0.00000000 0.22673147 -0.00000000 0.00967224 -0.01147922 -0.00967224 -0.01147922 0.00967224 0.01147922 0.25737172 -0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 0.750000000 0.750000000 ) 1 1 0.27611463 -0.00000000 -0.01029522 0.01350183 -0.01029522 0.01350183 -0.01029522 -0.01350183 0.20172260 -0.00000000 0.00836169 0.00000000 -0.01029522 -0.01350183 0.00836169 0.00000000 0.20172260 -0.00000000 1 2 -0.06095598 0.06131544 -0.03887175 0.03771120 -0.03887175 0.03771120 -0.03454641 0.04728112 -0.05021969 0.04953926 -0.03788151 -0.12273859 -0.03454641 0.04728112 -0.03788151 -0.12273859 -0.05021969 0.04953926 2 1 -0.06095598 -0.06131544 -0.03454641 -0.04728112 -0.03454641 -0.04728112 -0.03887175 -0.03771120 -0.05021969 -0.04953926 -0.03788151 0.12273859 -0.03887175 -0.03771120 -0.03788151 0.12273859 -0.05021969 -0.04953926 2 2 0.25737172 0.00000000 -0.00967224 0.01147922 -0.00967224 0.01147922 -0.00967224 -0.01147922 0.22673147 0.00000000 0.01556239 -0.00000000 -0.00967224 -0.01147922 0.01556239 -0.00000000 0.22673147 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 -0.750000000 -0.750000000 ) 1 1 0.27611463 0.00000000 -0.01029522 -0.01350183 -0.01029522 -0.01350183 -0.01029522 0.01350183 0.20172260 0.00000000 0.00836169 -0.00000000 -0.01029522 0.01350183 0.00836169 -0.00000000 0.20172260 0.00000000 1 2 -0.06095598 -0.06131544 -0.03887175 -0.03771120 -0.03887175 -0.03771120 -0.03454641 -0.04728112 -0.05021969 -0.04953926 -0.03788151 0.12273859 -0.03454641 -0.04728112 -0.03788151 0.12273859 -0.05021969 -0.04953926 2 1 -0.06095598 0.06131544 -0.03454641 0.04728112 -0.03454641 0.04728112 -0.03887175 0.03771120 -0.05021969 0.04953926 -0.03788151 -0.12273859 -0.03887175 0.03771120 -0.03788151 -0.12273859 -0.05021969 0.04953926 2 2 0.25737172 -0.00000000 -0.00967224 -0.01147922 -0.00967224 -0.01147922 -0.00967224 0.01147922 0.22673147 -0.00000000 0.01556239 0.00000000 -0.00967224 0.01147922 0.01556239 0.00000000 0.22673147 -0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 0.750000000 -0.750000000 ) 1 1 0.27611463 0.00000000 0.01029522 -0.01350183 -0.01029522 0.01350183 0.01029522 0.01350183 0.20172260 0.00000000 -0.00836169 -0.00000000 -0.01029522 -0.01350183 -0.00836169 -0.00000000 0.20172260 0.00000000 1 2 -0.06131544 -0.06095598 0.03771120 0.03887175 -0.03771120 -0.03887175 0.04728112 0.03454641 -0.04953926 -0.05021969 -0.12273859 0.03788151 -0.04728112 -0.03454641 -0.12273859 0.03788151 -0.04953926 -0.05021969 2 1 -0.06131544 0.06095598 0.04728112 -0.03454641 -0.04728112 0.03454641 0.03771120 -0.03887175 -0.04953926 0.05021969 -0.12273859 -0.03788151 -0.03771120 0.03887175 -0.12273859 -0.03788151 -0.04953926 0.05021969 2 2 0.25737172 -0.00000000 0.00967224 -0.01147922 -0.00967224 0.01147922 0.00967224 0.01147922 0.22673147 -0.00000000 -0.01556239 0.00000000 -0.00967224 -0.01147922 -0.01556239 0.00000000 0.22673147 -0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 -0.750000000 0.750000000 ) 1 1 0.27611463 -0.00000000 0.01029522 0.01350183 -0.01029522 -0.01350183 0.01029522 -0.01350183 0.20172260 -0.00000000 -0.00836169 0.00000000 -0.01029522 0.01350183 -0.00836169 0.00000000 0.20172260 -0.00000000 1 2 -0.06131544 0.06095598 0.03771120 -0.03887175 -0.03771120 0.03887175 0.04728112 -0.03454641 -0.04953926 0.05021969 -0.12273859 -0.03788151 -0.04728112 0.03454641 -0.12273859 -0.03788151 -0.04953926 0.05021969 2 1 -0.06131544 -0.06095598 0.04728112 0.03454641 -0.04728112 -0.03454641 0.03771120 0.03887175 -0.04953926 -0.05021969 -0.12273859 0.03788151 -0.03771120 -0.03887175 -0.12273859 0.03788151 -0.04953926 -0.05021969 2 2 0.25737172 0.00000000 0.00967224 0.01147922 -0.00967224 -0.01147922 0.00967224 -0.01147922 0.22673147 0.00000000 -0.01556239 -0.00000000 -0.00967224 0.01147922 -0.01556239 -0.00000000 0.22673147 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 -0.750000000 -0.750000000 ) 1 1 0.27611463 0.00000000 0.01029522 -0.01350183 0.01029522 -0.01350183 0.01029522 0.01350183 0.20172260 0.00000000 0.00836169 -0.00000000 0.01029522 0.01350183 0.00836169 -0.00000000 0.20172260 0.00000000 1 2 0.06131544 0.06095598 -0.03771120 -0.03887175 -0.03771120 -0.03887175 -0.04728112 -0.03454641 0.04953926 0.05021969 -0.12273859 0.03788151 -0.04728112 -0.03454641 -0.12273859 0.03788151 0.04953926 0.05021969 2 1 0.06131544 -0.06095598 -0.04728112 0.03454641 -0.04728112 0.03454641 -0.03771120 0.03887175 0.04953926 -0.05021969 -0.12273859 -0.03788151 -0.03771120 0.03887175 -0.12273859 -0.03788151 0.04953926 -0.05021969 2 2 0.25737172 -0.00000000 0.00967224 -0.01147922 0.00967224 -0.01147922 0.00967224 0.01147922 0.22673147 -0.00000000 0.01556239 0.00000000 0.00967224 0.01147922 0.01556239 0.00000000 0.22673147 -0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 0.750000000 0.750000000 ) 1 1 0.27611463 -0.00000000 0.01029522 0.01350183 0.01029522 0.01350183 0.01029522 -0.01350183 0.20172260 -0.00000000 0.00836169 0.00000000 0.01029522 -0.01350183 0.00836169 0.00000000 0.20172260 -0.00000000 1 2 0.06131544 -0.06095598 -0.03771120 0.03887175 -0.03771120 0.03887175 -0.04728112 0.03454641 0.04953926 -0.05021969 -0.12273859 -0.03788151 -0.04728112 0.03454641 -0.12273859 -0.03788151 0.04953926 -0.05021969 2 1 0.06131544 0.06095598 -0.04728112 -0.03454641 -0.04728112 -0.03454641 -0.03771120 -0.03887175 0.04953926 0.05021969 -0.12273859 0.03788151 -0.03771120 -0.03887175 -0.12273859 0.03788151 0.04953926 0.05021969 2 2 0.25737172 0.00000000 0.00967224 0.01147922 0.00967224 0.01147922 0.00967224 -0.01147922 0.22673147 0.00000000 0.01556239 -0.00000000 0.00967224 -0.01147922 0.01556239 -0.00000000 0.22673147 0.00000000 Dynamical Matrix in cartesian axes q = ( 0.250000000 -0.750000000 0.750000000 ) 1 1 0.27611463 -0.00000000 -0.01029522 0.01350183 0.01029522 -0.01350183 -0.01029522 -0.01350183 0.20172260 -0.00000000 -0.00836169 0.00000000 0.01029522 0.01350183 -0.00836169 0.00000000 0.20172260 -0.00000000 1 2 -0.06131544 -0.06095598 -0.03771120 -0.03887175 0.03771120 0.03887175 -0.04728112 -0.03454641 -0.04953926 -0.05021969 -0.12273859 0.03788151 0.04728112 0.03454641 -0.12273859 0.03788151 -0.04953926 -0.05021969 2 1 -0.06131544 0.06095598 -0.04728112 0.03454641 0.04728112 -0.03454641 -0.03771120 0.03887175 -0.04953926 0.05021969 -0.12273859 -0.03788151 0.03771120 -0.03887175 -0.12273859 -0.03788151 -0.04953926 0.05021969 2 2 0.25737172 0.00000000 -0.00967224 0.01147922 0.00967224 -0.01147922 -0.00967224 -0.01147922 0.22673147 0.00000000 -0.01556239 -0.00000000 0.00967224 0.01147922 -0.01556239 -0.00000000 0.22673147 0.00000000 Dynamical Matrix in cartesian axes q = ( -0.250000000 0.750000000 -0.750000000 ) 1 1 0.27611463 0.00000000 -0.01029522 -0.01350183 0.01029522 0.01350183 -0.01029522 0.01350183 0.20172260 0.00000000 -0.00836169 -0.00000000 0.01029522 -0.01350183 -0.00836169 -0.00000000 0.20172260 0.00000000 1 2 -0.06131544 0.06095598 -0.03771120 0.03887175 0.03771120 -0.03887175 -0.04728112 0.03454641 -0.04953926 0.05021969 -0.12273859 -0.03788151 0.04728112 -0.03454641 -0.12273859 -0.03788151 -0.04953926 0.05021969 2 1 -0.06131544 -0.06095598 -0.04728112 -0.03454641 0.04728112 0.03454641 -0.03771120 -0.03887175 -0.04953926 -0.05021969 -0.12273859 0.03788151 0.03771120 0.03887175 -0.12273859 0.03788151 -0.04953926 -0.05021969 2 2 0.25737172 -0.00000000 -0.00967224 -0.01147922 0.00967224 0.01147922 -0.00967224 0.01147922 0.22673147 -0.00000000 -0.01556239 0.00000000 0.00967224 -0.01147922 -0.01556239 0.00000000 0.22673147 -0.00000000 Diagonalizing the dynamical matrix q = ( 0.750000000 -0.250000000 0.750000000 ) ************************************************************************** freq ( 1) = 2.620970 [THz] = 87.426142 [cm-1] ( 0.035201 -0.491509 -0.000000 0.000000 -0.035201 0.491509 ) ( 0.507129 -0.000000 -0.000000 -0.000000 -0.507129 0.000000 ) freq ( 2) = 3.804496 [THz] = 126.904325 [cm-1] ( -0.375329 -0.170385 -0.331385 0.158345 -0.375329 -0.170385 ) ( -0.422918 -0.000000 -0.288531 -0.290404 -0.422918 0.000000 ) freq ( 3) = 5.902946 [THz] = 196.901089 [cm-1] ( 0.083389 -0.194386 0.164608 0.150601 0.083389 -0.194386 ) ( -0.376730 0.000000 0.470464 0.596286 -0.376730 0.000000 ) freq ( 4) = 10.568994 [THz] = 352.543690 [cm-1] ( -0.047677 0.665720 -0.000000 0.000000 0.047677 -0.665720 ) ( 0.233545 0.000000 -0.000000 -0.000000 -0.233545 0.000000 ) freq ( 5) = 10.588743 [THz] = 353.202445 [cm-1] ( -0.486019 -0.463301 0.012121 0.087002 -0.486019 -0.463301 ) ( 0.175601 0.000000 -0.020069 0.168777 0.175601 0.000000 ) freq ( 6) = 11.478003 [THz] = 382.864955 [cm-1] ( 0.056448 0.056780 -0.733142 0.646319 0.056448 0.056780 ) ( 0.071791 -0.000000 0.147078 -0.003584 0.071791 -0.000000 ) **************************************************************************